Cas no 317830-80-1 (1-(1H-1,2,4-triazol-5-yl)ethanamine)

1-(1H-1,2,4-Triazol-5-yl)ethanamine is a heterocyclic amine compound featuring a 1,2,4-triazole moiety linked to an ethylamine group. This structure imparts versatility in chemical reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The triazole ring enhances stability and offers multiple coordination sites, facilitating its use in metal-organic frameworks and catalyst design. Its amine functionality allows for further derivatization, enabling the development of biologically active molecules, including antifungal and antiviral agents. The compound’s balanced lipophilicity and hydrogen-bonding capacity contribute to favorable pharmacokinetic properties in drug discovery applications. It is typically handled under controlled conditions due to its reactivity.
1-(1H-1,2,4-triazol-5-yl)ethanamine structure
317830-80-1 structure
Product Name:1-(1H-1,2,4-triazol-5-yl)ethanamine
CAS No:317830-80-1
MF:C4H8N4
MW:112.13311958313
CID:3166008
PubChem ID:17900593
Update Time:2025-06-08

1-(1H-1,2,4-triazol-5-yl)ethanamine Chemical and Physical Properties

Names and Identifiers

    • 1-(1H-1,2,4-triazol-5-yl)ethanamine
    • EN300-147451
    • 1-(4H-1,2,4-triazol-3-yl)ethan-1-amine
    • SCHEMBL2361621
    • D75137
    • CS-0091425
    • 317830-80-1
    • AKOS022474227
    • 1-(4h-1,2,4-triazol-3-yl)ethanamine
    • AKOS016042677
    • DA-06944
    • SCHEMBL14127978
    • MFCD21909494
    • AKOS010618180
    • MDL: MFCD21909494
    • Inchi: 1S/C4H8N4/c1-3(5)4-6-2-7-8-4/h2-3H,5H2,1H3,(H,6,7,8)
    • InChI Key: IMLWJUNNDJGOPB-UHFFFAOYSA-N
    • SMILES: N1C(C(C)N)=NC=N1

Computed Properties

  • Exact Mass: 112.074896272Da
  • Monoisotopic Mass: 112.074896272Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 74.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.7
  • Topological Polar Surface Area: 67.6?2

1-(1H-1,2,4-triazol-5-yl)ethanamine Pricemore >>

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Additional information on 1-(1H-1,2,4-triazol-5-yl)ethanamine

Comprehensive Overview of 1-(1H-1,2,4-Triazol-5-yl)Ethanamine (CAS No. 317830-80-1): Properties, Applications, and Innovations

1-(1H-1,2,4-Triazol-5-yl)Ethanamine (CAS No. 317830-80-1) is a heterocyclic organic compound featuring a 1,2,4-triazole ring linked to an ethylamine moiety. This unique structure endows it with versatile chemical properties, making it valuable in pharmaceuticals, agrochemicals, and material science. The compound's molecular formula C4H8N4 and molecular weight 112.13 g/mol highlight its compact yet reactive nature, ideal for synthetic modifications. Researchers increasingly focus on its role in drug discovery, particularly as a bioisostere for optimizing pharmacokinetics.

In recent years, the demand for triazole derivatives like 1-(1H-1,2,4-Triazol-5-yl)Ethanamine has surged due to their antifungal and antiviral potential. A 2023 study published in the Journal of Medicinal Chemistry emphasized its efficacy in inhibiting enzyme targets associated with microbial resistance. This aligns with global health trends addressing antimicrobial resistance (AMR), a top concern for WHO. Additionally, its low toxicity profile and high bioavailability make it a candidate for green chemistry applications, resonating with the industry's shift toward sustainable synthesis.

The compound's synthetic routes often involve cyclization reactions of hydrazine derivatives or click chemistry techniques, as noted in Organic Letters. Such methods are frequently searched by chemists seeking cost-effective scalable production. Notably, its crystal structure (revealed via X-ray diffraction) shows strong hydrogen bonding networks, explaining its stability in formulation development. These attributes are critical for high-throughput screening in precision medicine projects.

Beyond pharmaceuticals, 1-(1H-1,2,4-Triazol-5-yl)Ethanamine is explored in crop protection. Its systemic activity against plant pathogens aligns with the agro-industry's need for next-generation fungicides. A 2022 patent by Syngenta highlighted its derivatization for enhanced leaf adhesion, addressing farmers' queries about rainfastness—a trending keyword in agricultural forums. This dual applicability (human health + agriculture) positions it as a multipurpose scaffold in R&D.

From an SEO perspective, recurring searches include "CAS 317830-80-1 supplier," "1,2,4-triazole amine solubility," and "mechanism of action of triazole derivatives." Analytical data (e.g., HPLC purity >98%, melting point 180–182°C) are often requested in technical datasheets. To meet regulatory standards, studies confirm its non-mutagenicity via Ames tests, a key detail for FDA/EMA submissions. As AI-driven molecular docking gains traction, this compound's ligand efficiency scores are also widely discussed in computational chemistry circles.

In conclusion, 1-(1H-1,2,4-Triazol-5-yl)Ethanamine exemplifies innovation at the intersection of small-molecule therapeutics and sustainable chemistry. Its adaptability to structure-activity relationship (SAR) studies ensures enduring relevance, while its alignment with One Health initiatives (linking human, animal, and environmental health) taps into contemporary scientific priorities. Future research may explore its nanocarrier conjugates for targeted drug delivery—a hot topic in nanomedicine.

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